smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[C@H](O)CNC(=O)[C@H](C)[NH3+] ZINC000159841894 179345685 /nfs/dbraw/zinc/34/56/85/179345685.db2.gz JXBQNQCUJZZWQH-GXSJLCMTSA-N 1 0 222.288 0.492 50 70 BCIARO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCOC(=O)N(C)C ZINC000159398484 350100914 /nfs/dbraw/zinc/10/09/14/350100914.db2.gz ISQGCOZFVDVUON-GHMZBOCLSA-N 1 0 244.335 0.920 50 70 BCIARO C[C@H]1CCC[C@H](CO)[N@@H+]1CCOC(=O)N(C)C ZINC000159398660 350101589 /nfs/dbraw/zinc/10/15/89/350101589.db2.gz ISQGCOZFVDVUON-WDEREUQCSA-N 1 0 244.335 0.920 50 70 BCIARO OCCO[C@H]1CCOC[C@H]1[NH2+]C1CCCC1 ZINC000218041841 183088365 /nfs/dbraw/zinc/08/83/65/183088365.db2.gz ASGVGQDTKZXWNW-NEPJUHHUSA-N 1 0 229.320 0.685 50 70 BCIARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccnc(C)n1 ZINC000161293705 256860160 /nfs/dbraw/zinc/86/01/60/256860160.db2.gz MVBCPMXOJGAJEB-SNVBAGLBSA-N 1 0 234.303 0.609 50 70 BCIARO COCCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000159976467 174128952 /nfs/dbraw/zinc/12/89/52/174128952.db2.gz IOADRCYKWRXKBR-UHFFFAOYSA-N 1 0 214.309 0.529 50 70 BCIARO C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160329822 177025537 /nfs/dbraw/zinc/02/55/37/177025537.db2.gz ZEUOUBSUFMRQFI-QWRGUYRKSA-N 1 0 249.314 0.799 50 70 BCIARO Cc1ccccc1[C@H](O)CNC(=O)[C@@H](C)[NH3+] ZINC000159842480 179345640 /nfs/dbraw/zinc/34/56/40/179345640.db2.gz JXBQNQCUJZZWQH-MWLCHTKSSA-N 1 0 222.288 0.492 50 70 BCIARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cnn(C)c1 ZINC000161168857 173369152 /nfs/dbraw/zinc/36/91/52/173369152.db2.gz HSVXNADPCSVYDM-NSHDSACASA-N 1 0 236.319 0.173 50 70 BCIARO COCCOCCCNC(=[NH2+])NC1CC1 ZINC000217999304 174349486 /nfs/dbraw/zinc/34/94/86/174349486.db2.gz WANMMOFEYVPEHF-UHFFFAOYSA-N 1 0 215.297 0.316 50 70 BCIARO C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160329542 177025605 /nfs/dbraw/zinc/02/56/05/177025605.db2.gz ZEUOUBSUFMRQFI-WDEREUQCSA-N 1 0 249.314 0.799 50 70 BCIARO CCN1CCC([NH2+][C@@H]2COCC[C@H]2O)CC1 ZINC000217012518 350029274 /nfs/dbraw/zinc/02/92/74/350029274.db2.gz NSHSVBDERVJKDB-VXGBXAGGSA-N 1 0 228.336 0.210 50 70 BCIARO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000217720180 388571312 /nfs/dbraw/zinc/57/13/12/388571312.db2.gz JWKFYPYHMMHFJY-BBBLOLIVSA-N 1 0 214.309 0.534 50 70 BCIARO Cc1ccccc1[C@@H](O)CNC(=O)[C@@H](C)[NH3+] ZINC000159842597 179326028 /nfs/dbraw/zinc/32/60/28/179326028.db2.gz JXBQNQCUJZZWQH-KOLCDFICSA-N 1 0 222.288 0.492 50 70 BCIARO [NH3+]Cc1ccc(C(=O)NCCc2cn[nH]c2)cc1 ZINC000218779806 386734892 /nfs/dbraw/zinc/73/48/92/386734892.db2.gz HZLCUZVAOPDVPS-UHFFFAOYSA-N 1 0 244.298 0.841 50 70 BCIARO OC[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000217547665 537906245 /nfs/dbraw/zinc/90/62/45/537906245.db2.gz PPEOZMCQJPKHAA-TUAOUCFPSA-N 1 0 213.321 0.994 50 70 BCIARO CCn1ccnc1CN1CC[NH+](C)CC1 ZINC000160667714 172221187 /nfs/dbraw/zinc/22/11/87/172221187.db2.gz DWPLVZJMTXPVJV-UHFFFAOYSA-N 1 0 208.309 0.650 50 70 BCIARO Cc1ccccc1[C@@H](O)CNC(=O)CCC[NH3+] ZINC000159845094 179327074 /nfs/dbraw/zinc/32/70/74/179327074.db2.gz FSGZVNPLJQVDQM-LBPRGKRZSA-N 1 0 236.315 0.884 50 70 BCIARO CCC[C@@H]([NH3+])C(=O)N(C)CCSC ZINC000159596062 169387228 /nfs/dbraw/zinc/38/72/28/169387228.db2.gz LUNBLFCMULICNQ-MRVPVSSYSA-N 1 0 204.339 0.935 50 70 BCIARO CC1(CNS(=O)(=O)C2CC2)CC[NH2+]CC1 ZINC000159996645 168043200 /nfs/dbraw/zinc/04/32/00/168043200.db2.gz DDMALKHEUYZMBC-UHFFFAOYSA-N 1 0 232.349 0.458 50 70 BCIARO C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160329951 176006465 /nfs/dbraw/zinc/00/64/65/176006465.db2.gz ZEUOUBSUFMRQFI-MNOVXSKESA-N 1 0 249.314 0.799 50 70 BCIARO C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160329682 176006647 /nfs/dbraw/zinc/00/66/47/176006647.db2.gz ZEUOUBSUFMRQFI-GHMZBOCLSA-N 1 0 249.314 0.799 50 70 BCIARO Cc1ccccc1[C@H](O)CNC(=O)CCC[NH3+] ZINC000159844969 179345655 /nfs/dbraw/zinc/34/56/55/179345655.db2.gz FSGZVNPLJQVDQM-GFCCVEGCSA-N 1 0 236.315 0.884 50 70 BCIARO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000217720347 387430322 /nfs/dbraw/zinc/43/03/22/387430322.db2.gz JWKFYPYHMMHFJY-AEJSXWLSSA-N 1 0 214.309 0.534 50 70 BCIARO Cc1ccccc1[C@@H](O)CNC(=O)[C@H](C)[NH3+] ZINC000159842029 179326669 /nfs/dbraw/zinc/32/66/69/179326669.db2.gz JXBQNQCUJZZWQH-ONGXEEELSA-N 1 0 222.288 0.492 50 70 BCIARO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCOC(=O)N(C)C ZINC000159398783 350103114 /nfs/dbraw/zinc/10/31/14/350103114.db2.gz ISQGCOZFVDVUON-MNOVXSKESA-N 1 0 244.335 0.920 50 70 BCIARO CCC[C@H]([NH3+])C(=O)N(C)CCSC ZINC000159595940 385672428 /nfs/dbraw/zinc/67/24/28/385672428.db2.gz LUNBLFCMULICNQ-QMMMGPOBSA-N 1 0 204.339 0.935 50 70 BCIARO CN(Cc1cnccn1)C(=O)C[NH+]1CCCC1 ZINC000217961590 398097788 /nfs/dbraw/zinc/09/77/88/398097788.db2.gz HDIYECKMVPFNGH-UHFFFAOYSA-N 1 0 234.303 0.531 50 70 BCIARO CSCCN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000159598065 385673549 /nfs/dbraw/zinc/67/35/49/385673549.db2.gz VCHIBQJVBIFOSG-QMMMGPOBSA-N 1 0 204.339 0.791 50 70 BCIARO CC(C)Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)[nH]n1 ZINC000160227011 386692612 /nfs/dbraw/zinc/69/26/12/386692612.db2.gz XWKAKYLHWGEOQC-SECBINFHSA-N 1 0 236.319 0.781 50 70 BCIARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccnc(C)n1 ZINC000161293820 259359283 /nfs/dbraw/zinc/35/92/83/259359283.db2.gz MVBCPMXOJGAJEB-JTQLQIEISA-N 1 0 234.303 0.609 50 70 BCIARO Cc1ccn2ncc(C(=O)N3CC[NH2+]CC3)c2n1 ZINC000159390158 350093611 /nfs/dbraw/zinc/09/36/11/350093611.db2.gz QHNAXJYAZOTDJO-UHFFFAOYSA-N 1 0 245.286 0.083 50 70 BCIARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cnn(C)c1 ZINC000161168957 173379617 /nfs/dbraw/zinc/37/96/17/173379617.db2.gz HSVXNADPCSVYDM-LLVKDONJSA-N 1 0 236.319 0.173 50 70 BCIARO